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Hello Fred;

You might be interested in looking at http://xtal.nki.nl/Depot , and more precisely at http://xtal.nki.nl/cgi-bin/WebObjects/Depot.woa/wa/ tools#qualifiers

You'll see that indeed you can query the DB upon specific criteria (named solventContentFinal)...

If this looks like it can provide you with what you need, contact me directly if you need any help.

Cordially;

Serge.

Le 9 juil. 07 à 15:53, Fred. Vellieux a écrit :

Dear CCP4BB subscribers,

I am looking for some data to run some tests of methods.

I am interested in the treatment of solvent regions, first
during structure solution by experimental methods (MIRAS, MIR,
MAD, SIRAS etc).

For these tests, I need to access experimental data (Fobs,
experimental phases before any density modification, figures
of merit) for structures that contain lots of solvent.

By lots I mean higher than ca. 70% solvent: the tests I
intend to run must be conclusive that the method indeed
works. I also need to be told how much solvent there is
in the structure. The structure must be solved (so that
there are Fcalcs and Phicalcs corresponding to the "TRUTH").

Any help would be appreciated. If there is any publication
resulting from these tests, then contributors will be
rewarded by having a citation and being thanked in the
acknowledgements section. I cannot guarantee at this stage
that there will be a publication however!

Thank you all in advance,

Fred.




*******************************************************************
Dr. Serge COHEN
GPG Key ID: 9CBB58FB

N.K.I.
Department of Molecular Carcinogenesis
Plesmanlaan 121
1066 CX Amsterdam; NL

E-Mail: [EMAIL PROTECTED]
Tel : +31 20 512 2053
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